Table 2 Comparison of the fractions of distorted bond length and distorted bond angle estimated from bond length distributions and bond angle distributions in Pure, B, N, and Cl doped a-C films.

From: First principles investigation on energetics, structure, and mechanical properties of amorphous carbon films doped with B, N, and Cl

 

Pure a-C

B doped a-C

N doped a-C

Cl doped a-C

Fraction of distorted bond length (%)

55.4

57.9

55.0

74.3

Fraction of distorted bond angle (%)

68.5

71.4

72.6

79.2

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